N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-propan-2-ylsulfanyl-benzamide hydrochloride

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-propan-2-ylsulfanyl-benzamide hydrochloride Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-isopropylsulfanyl-benzamide hydrochloride CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-(propan-2-ylthio)benzamide hydrochloride IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-propan-2-ylsulfanylbenzamide hydrochloride Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-(isopropylthio)benzamide hydrochloride Formula: C24H26Cl2N4OS2 MolecularWeight: 521.52544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)SC(C)C.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)SC(C)C.Cl

InChI

InChI=1S/C24H25ClN4OS2.ClH/c1-16(2)31-19-7-4-6-18(14-19)23(30)29(12-5-11-28-13-10-26-15-28)24-27-21-17(3)8-9-20(25)22(21)32-24;/h4,6-10,13-16H,5,11-12H2,1-3H3;1H